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9-Amino-7-chloromethyl-1-phenyl-6,9-dihydropyrazolo[3',4',4,5]pyrimido[1,2-b] [1,2,4]triazin-4-(1H)-one
SpectraBase Compound ID 5bvfYZevYLA
InChI InChI=1S/C14H12ClN7O/c15-6-9-8-20(16)14-18-12-11(13(23)22(14)19-9)7-17-21(12)10-4-2-1-3-5-10/h1-5,7-8,19H,6,16H2
InChIKey CQMHXGNMWOTVSJ-UHFFFAOYSA-N
Mol Weight 329.75 g/mol
Molecular Formula C14H12ClN7O
Exact Mass 329.079186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0cVBkXaLY0
Name 9-Amino-7-chloromethyl-1-phenyl-6,9-dihydropyrazolo[3',4',4,5]pyrimido[1,2-b] [1,2,4]triazin-4-(1H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12ClN7O
InChI InChI=1S/C14H12ClN7O/c15-6-9-8-20(16)14-18-12-11(13(23)22(14)19-9)7-17-21(12)10-4-2-1-3-5-10/h1-5,7-8,19H,6,16H2
InChIKey CQMHXGNMWOTVSJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3744
Molecular Weight 329.751 g/mol
SMILES N1C(=CN(C=2N1C(c1c(N2)[n](nc1)-c1ccccc1)=O)N)CCl
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Source of Spectrum Y-57-546-7
Wiley ID 1859979